CID 165604901

2,4-dimethyl-3,4-dihydro-2h-1-benzopyran-6-sulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO3S
SMILES
CC1CC(OC2=C1C=C(C=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C11H13ClO3S/c1-7-5-8(2)15-11-4-3-9(6-10(7)11)16(12,13)14/h3-4,6-8H,5H2,1-2H3
InChIKey
VYVMSOBXQBVUTH-UHFFFAOYSA-N
Compound name
2,4-dimethyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

260.0274 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03468 153.3
[M+Na]+ 283.01662 167.0
[M+NH4]+ 278.06122 162.3
[M+K]+ 298.99056 158.8
[M-H]- 259.02012 156.4
[M+Na-2H]- 281.00207 157.9
[M]+ 260.02685 157.0
[M]- 260.02795 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.